Computational investigations on biochemical phenomena

生物催化剂对生命至关重要。它们使活细胞中发生的反应能够以维持生命的速率发生。例如，RNA是在所有活细胞中发现的分子，它翻译DNA携带的遗传密码并将其翻译成蛋白质，即细胞的工作分子。它本身在溶液中，将需要大约100年的时间来打破。然而，一些生物催化剂可以加速这种反应，使其以每分钟数百次的速度发生！在我们的研究中，我们感兴趣的两种主要类型的酶-一氧化氮还原酶和甲硫氨酸亚砜还原酶。前者催化重要信使分子NO的合成，现在已知NO在一系列生理过程中发挥关键作用，包括血压调节和胚胎发育。第二类酶负责修复一系列酶中关键残基的氧化损伤。事实上，已经证明它们可以延长寿命，增加果蝇的体力活动！然而，对于这两种酶，我们还不知道它们是如何工作的。我们的研究调查了它们的化学和催化机制。 这些知识不仅可以增加我们的科学知识，还可以设计新的治疗药物。

Biological catalysts are essential for life. They enable the reactions that occur in living cells to occur at rates that can sustain life. For example, RNA is a molecule found in all living cells that translates the genetic code carried by DNA and translates it into proteins, the work molcules of cells. By itself in solution, it will take aaround 100 years to break. However, some biological catalysts can speed this reaction such that it occurs at the rate of several hundred times a minute!In our research we are interested in two main types of enzymes - nitric oxide synthases and methionine sulfoxide reductases. The former ones catalyse the synthesis of the important messenger molecule NO, which is now known to play key roles in a range of physiological processes including blood pressure regulation and embryo development. The second class of enzymes are responsible for repairing oxidative dame to key residues in a range of enzymes. In fact, it has been shown that they can lengthen life-spans and increase the physical activity of fruit flies! However, for both of these enyzmes we do not yet know how they work.Our research investigates their chemistry and catalytic mechanisms.  This knowledge could not only increase our scientific knowledge, but also lead to the design of new therapeutic drugs.